13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile

C153H58F6N16O5 — CID 159651325

IUPAC13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile
SMILESN#CC(C#N)=C1c2cc(C#N)c3ccccc3c2-c2c1nnc1c2C(=O)c2cc(C#N)c3ccccc3c2-1.N#CC(C#N)=C1c2cc(F)c3ccccc3c2-c2c1c(F)c(F)c1c2C(=O)c2cc(F)c3ccccc3c2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1c(F)c(F)c1c2C(=O)c2cc3ccccc3cc2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1ccc1c2C(=O)c2cc3ccccc3cc2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1nnc1c2C(=O)c2cc3ccccc3cc2-1
InChIInChI=1S/C31H10F4N2O.C31H12F2N2O.C31H10N6O.C31H14N2O.C29H12N4O/c32-20-9-18-22(13(11-36)12-37)26-25(23(18)16-7-3-1-5-14(16)20)28-27(30(35)29(26)34)24-17-8-4-2-6-15(17)21(33)10-19(24)31(28)38;32-29-26-22-11-17-7-3-4-8-18(17)12-23(22)31(36)28(26)25-21-10-16-6-2-1-5-15(16)9-20(21)24(19(13-34)14-35)27(25)30(29)33;32-11-15-9-22-24(17(13-34)14-35)29-27(25(22)20-7-3-1-5-18(15)20)28-30(37-36-29)26-21-8-4-2-6-19(21)16(12-33)10-23(26)31(28)38;32-15-21(16-33)28-23-10-9-22-24-11-17-5-1-4-8-20(17)14-27(24)31(34)30(22)29(23)26-13-19-7-3-2-6-18(19)12-25(26)28;30-13-19(14-31)24-20-9-15-5-1-2-6-16(15)10-21(20)25-26-27(32-33-28(24)25)22-11-17-7-3-4-8-18(17)12-23(22)29(26)34/h1-10H;1-12H;1-10H;1-14H;1-12H
InChIKeyMRPJVOKCIBLUNW-UHFFFAOYSA-N
MW2314.24 g/mol
LogP33.33
Rot. Bonds

About 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile

13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile (PubChem CID 159651325) has the molecular formula C153H58F6N16O5 and a molecular weight of 2314.24 g/mol. Its IUPAC name is 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile.

Molecular Properties

Compound Name13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile
PubChem CID159651325
Molecular FormulaC153H58F6N16O5
Molecular Weight2314.24 g/mol
Exact Mass2312.47
IUPAC Name13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile
SMILESN#CC(C#N)=C1c2cc(C#N)c3ccccc3c2-c2c1nnc1c2C(=O)c2cc(C#N)c3ccccc3c2-1.N#CC(C#N)=C1c2cc(F)c3ccccc3c2-c2c1c(F)c(F)c1c2C(=O)c2cc(F)c3ccccc3c2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1c(F)c(F)c1c2C(=O)c2cc3ccccc3cc2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1ccc1c2C(=O)c2cc3ccccc3cc2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1nnc1c2C(=O)c2cc3ccccc3cc2-1
InChIInChI=1S/C31H10F4N2O.C31H12F2N2O.C31H10N6O.C31H14N2O.C29H12N4O/c32-20-9-18-22(13(11-36)12-37)26-25(23(18)16-7-3-1-5-14(16)20)28-27(30(35)29(26)34)24-17-8-4-2-6-15(17)21(33)10-19(24)31(28)38;32-29-26-22-11-17-7-3-4-8-18(17)12-23(22)31(36)28(26)25-21-10-16-6-2-1-5-15(16)9-20(21)24(19(13-34)14-35)27(25)30(29)33;32-11-15-9-22-24(17(13-34)14-35)29-27(25(22)20-7-3-1-5-18(15)20)28-30(37-36-29)26-21-8-4-2-6-19(21)16(12-33)10-23(26)31(28)38;32-15-21(16-33)28-23-10-9-22-24-11-17-5-1-4-8-20(17)14-27(24)31(34)30(22)29(23)26-13-19-7-3-2-6-18(19)12-25(26)28;30-13-19(14-31)24-20-9-15-5-1-2-6-16(15)10-21(20)25-26-27(32-33-28(24)25)22-11-17-7-3-4-8-18(17)12-23(22)29(26)34/h1-10H;1-12H;1-10H;1-14H;1-12H
InChIKeyMRPJVOKCIBLUNW-UHFFFAOYSA-N
XLogP33.33
TPSA422.39 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.24
LogP ≤ 533.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile?
The IUPAC name of 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile (CID 159651325) is 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile.
What is the SMILES notation for 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile?
The canonical SMILES for 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile is N#CC(C#N)=C1c2cc(C#N)c3ccccc3c2-c2c1nnc1c2C(=O)c2cc(C#N)c3ccccc3c2-1.N#CC(C#N)=C1c2cc(F)c3ccccc3c2-c2c1c(F)c(F)c1c2C(=O)c2cc(F)c3ccccc3c2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1c(F)c(F)c1c2C(=O)c2cc3ccccc3cc2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1ccc1c2C(=O)c2cc3ccccc3cc2-1.N#CC(C#N)=C1c2cc3ccccc3cc2-c2c1nnc1c2C(=O)c2cc3ccccc3cc2-1.
What is the InChIKey of 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile?
The InChIKey is MRPJVOKCIBLUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H10F4N2O.C31H12F2N2O.C31H10N6O.C31H14N2O.C29H12N4O/c32-20-9-18-22(13(11-36)12-37)26-25(23(18)16-7-3-1-5-14(16)20)28-27(30(35)29(26)34)24-17-8-4-2-6-15(17)21(33)10-19(24)31(28)38;32-29-26-22-11-17-7-3-4-8-18(17)12-23(22)31(36)28(26)25-21-10-16-6-2-1-5-15(16)9-20(21)24(19(13-34)14-35)27(25)30(29)33;32-11-15-9-22-24(17(13-34)14-35)29-27(25(22)20-7-3-1-5-18(15)20)28-30(37-36-29)26-21-8-4-2-6-19(21)16(12-33)10-23(26)31(28)38;32-15-21(16-33)28-23-10-9-22-24-11-17-5-1-4-8-20(17)14-27(24)31(34)30(22)29(23)26-13-19-7-3-2-6-18(19)12-25(26)28;30-13-19(14-31)24-20-9-15-5-1-2-6-16(15)10-21(20)25-26-27(32-33-28(24)25)22-11-17-7-3-4-8-18(17)12-23(22)29(26)34/h1-10H;1-12H;1-10H;1-14H;1-12H.
What are the key properties of 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile?
13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile has a molecular weight of 2314.24 g/mol, XLogP of 33.33, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(dicyanomethylidene)-28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-10,25-dicarbonitrile;2-(15,16-difluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(28-oxo-15,16-diazaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3,5,7,9,11,14,16,18,20,22,24,26-tridecaen-13-ylidene)propanedinitrile;2-(28-oxo-13-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaenylidene)propanedinitrile;2-(10,15,16,25-tetrafluoro-28-oxo-13-heptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaenylidene)propanedinitrile is sourced from PubChem (CID 159651325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).